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1-Methyl-4-(trimethylacetoxy)-3a.alpha.,4.alpha.,5,6-tetrahydroazulen-2(3H)-one
SpectraBase Compound ID HUdsCrLTit0
InChI InChI=1S/C16H22O3/c1-10-11-7-5-6-8-14(12(11)9-13(10)17)19-15(18)16(2,3)4/h5,7,12,14H,6,8-9H2,1-4H3/t12-,14-/m0/s1
InChIKey SITNQTNMJMBXPS-JSGCOSHPSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CeLA33rox7
Name 1-Methyl-4-(trimethylacetoxy)-3a.alpha.,4.alpha.,5,6-tetrahydroazulen-2(3H)-one
Alternate Name(s) (3aS,4S)-1-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-4-azulenyl pivalate
CAS Registry Number 112021-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-10-11-7-5-6-8-14(12(11)9-13(10)17)19-15(18)16(2,3)4/h5,7,12,14H,6,8-9H2,1-4H3/t12-,14-/m0/s1
InChIKey SITNQTNMJMBXPS-JSGCOSHPSA-N
Molecular Weight 262.349 g/mol
SMILES C12=C(C(=O)C[C@@]2([C@@](OC(C(C)(C)C)=O)(CCC=C1)[H])[H])C
SPLASH splash10-0a4i-6910000000-3ba60880b394ae578519
Source of Spectrum J-53-442-0
Wiley ID 1266139